4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 586998-39-2) is a chemical compound with molecular formula C15H9Cl2FN4S and molecular weight 365.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: SALOR-INT L465496-1EA, 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((2,4-dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2,4-dichlorophenyl)-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole-3 -thiol, 4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H9Cl2FN4S |
|---|---|
| Molecular Weight | 365.99 g/mol |
| LogP | 4.93579 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.9909 |
| Heavy Atoms | 23 |
| Complexity | 948.6451 |
Chemical Identifiers
| CAS Number | 586998-39-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)Cl)Cl)F |
Product Overview
4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 586998-39-2), with molecular formula C15H9Cl2FN4S and molecular weight 365.99 g/mol. IUPAC: 4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.93579 indicates that 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 586998-39-2.
What is the molecular formula of 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol is C15H9Cl2FN4S.
What is the molecular weight of 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 365.99 g/mol.
Where can I buy 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,4-Dichlorobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.